(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide

C54H50F8N6O8 — CID 158945723

IUPAC(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1.C[C@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/2C27H25F4N3O4/c2*1-17(34-10-12-37-13-11-34)26(36)33-23-15-19(7-9-25(23)38-27(29,30)31)24(35)14-18-6-8-22(32-16-18)20-4-2-3-5-21(20)28/h2*2-9,15-17H,10-14H2,1H3,(H,33,36)/t2*17-/m10/s1
InChIKeyJKUKENVQBUGYCH-QAOGLABXSA-N
MW1063.01 g/mol
LogP9.74
Rot. Bonds16

About (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide

(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide (PubChem CID 158945723) has the molecular formula C54H50F8N6O8 and a molecular weight of 1063.01 g/mol. Its IUPAC name is (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
PubChem CID158945723
Molecular FormulaC54H50F8N6O8
Molecular Weight1063.01 g/mol
Exact Mass1062.36
IUPAC Name(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1.C[C@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1
InChIInChI=1S/2C27H25F4N3O4/c2*1-17(34-10-12-37-13-11-34)26(36)33-23-15-19(7-9-25(23)38-27(29,30)31)24(35)14-18-6-8-22(32-16-18)20-4-2-3-5-21(20)28/h2*2-9,15-17H,10-14H2,1H3,(H,33,36)/t2*17-/m10/s1
InChIKeyJKUKENVQBUGYCH-QAOGLABXSA-N
XLogP9.74
TPSA161.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.01
LogP ≤ 59.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide with MolForge

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Related Compounds

N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710324
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-[[4-[5-[(pyridin-3-ylmethylamino)methyl]-2-pyridinyl]phenyl]methyl]butanamide;2,2,2-trifluoroacetic acid
CID 44536223
N-[1-(dimethylamino)propan-2-yl]-4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-[[4-[5-[(2-phenylethylamino)methyl]-2-pyridinyl]phenyl]methyl]butanamide;2,2,2-trifluoroacetic acid
CID 44536323
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 162650363
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(3-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710273
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710486
N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710494
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710633
N-((cis)-3-fluoro-1-(4-(trifluoromethoxy)benzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710689
N-((trans)-3-fluoro-1-(4-(trifluoromethoxy)benzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710760
N-((trans)-3-fluoro-1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 68084307

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide (CID 158945723) is (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide is C[C@@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1.C[C@H](C(=O)Nc1cc(C(=O)Cc2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F)N1CCOCC1.
What is the InChIKey of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
The InChIKey is JKUKENVQBUGYCH-QAOGLABXSA-N. The full InChI is InChI=1S/2C27H25F4N3O4/c2*1-17(34-10-12-37-13-11-34)26(36)33-23-15-19(7-9-25(23)38-27(29,30)31)24(35)14-18-6-8-22(32-16-18)20-4-2-3-5-21(20)28/h2*2-9,15-17H,10-14H2,1H3,(H,33,36)/t2*17-/m10/s1.
What are the key properties of (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide?
(2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide has a molecular weight of 1063.01 g/mol, XLogP of 9.74, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide;(2S)-N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 158945723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).